Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov

The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health — The latest 2019 novel coronavirus outbreak in Wuhan, China

(2020) David S. Hui et al.   INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES

Outbreak of pneumonia of unknown etiology in Wuhan, China: The mystery and the miracle

(2020) Hongzhou Lu et al.   JOURNAL OF MEDICAL VIROLOGY

Clinical evidence does not support corticosteroid treatment for 2019-nCoV lung injury

(2020) Clark D Russell et al.   LANCET

Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding

(2020) Roujian Lu et al.   LANCET

Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China

(2020) Chaolin Huang et al.   LANCET

Pandemic potential of 2019-nCoV

(2020) Robin Thompson   LANCET INFECTIOUS DISEASES

Evolution of the novel coronavirus from the ongoing Wuhan outbreak and modeling of its spike protein for risk of human transmission

(2020) Xintian Xu et al.   Science China-Life Sciences

IVS2vec: A tool of Inverse Virtual Screening based on word2vec and deep learning techniques

(2019) Haiping Zhang et al.   METHODS

Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion

(2019) Alexandra C. Walls et al.   CELL

Exploiting machine learning for end-to-end drug discovery and development

(2019) Sean Ekins et al.   NATURE MATERIALS

DeepBindRG: a deep learning based method for estimating effective protein–ligand affinity

(2019) Haiping Zhang et al.   PeerJ

The rise of deep learning in drug discovery

(2018) Hongming Chen et al.   DRUG DISCOVERY TODAY

Tu1860 - A Novel Octapeptide as a Promising Candidate for Antibiotic Drug Development and Host Derived Microbiome Regulation

(2018) Judith Wendler et al.   GASTROENTEROLOGY

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

(2018) Sabrina Jaeger et al.   Journal of Chemical Information and Modeling

How artificial intelligence is changing drug discovery

(2018) Nic Fleming   NATURE

GISAID: Global initiative on sharing all influenza data – from vision to reality

(2017) Yuelong Shu et al.   Eurosurveillance

Sequence fingerprints distinguish erroneous from correct predictions of intrinsically disordered protein regions

(2017) Konda Mani Saravanan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Clustal Omega for making accurate alignments of many protein sequences

(2017) Fabian Sievers et al.   PROTEIN SCIENCE

PDB-wide collection of binding data: current status of the PDBbind database

(2014) Zhihai Liu et al.   BIOINFORMATICS

Biomedical applications of dipeptides and tripeptides

(2012) Sara Santos et al.   BIOPOLYMERS

Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses

(2012) Y. Kim et al.   JOURNAL OF VIROLOGY

Search for identical octapeptides in unrelated proteins: Structural plasticity revisited

(2011) K. M. Saravanan et al.   BIOPOLYMERS

Computer-aided drug design platform using PyMOL

(2010) Markus A. Lill et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

QMEAN: A comprehensive scoring function for model quality assessment

(2007) Pascal Benkert et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS